methyl 7-methyl-3,4-dihydro-1H-isothiochromene-1-carboxylate

Systemtic Name: methyl 7-methyl-3,4-dihydro-1H-isothiochromene-1-carboxylate Openeye Name: methyl 7-methylisothiochromane-1-carboxylate CAS Name: 7-methyl-3,4-dihydro-1H-2-benzothiopyran-1-carboxylic acid methyl ester IUPAC Name: methyl 7-methyl-3,4-dihydro-1H-isothiochromene-1-carboxylate Traditional Name: 7-methylisothiochroman-1-carboxylic acid methyl ester Formula: C12H14O2S MolecularWeight: 222.30336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CCSC2C(=O)OC)C=C1

Isomeric SMILES

CC1=CC2=C(CCSC2C(=O)OC)C=C1

InChI

InChI=1S/C12H14O2S/c1-8-3-4-9-5-6-15-11(10(9)7-8)12(13)14-2/h3-4,7,11H,5-6H2,1-2H3